3-[[1-(1-azanylpiperidin-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(1-azanylpiperidin-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[2-(1-aminopiperidin-1-ium-1-yl)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(1-amino-1-piperidin-1-iumyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(1-aminopiperidin-1-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[2-(1-aminopiperidin-1-ium-1-yl)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O)N

Isomeric SMILES

C1CC[N+](CC1)(C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O)N

InChI

InChI=1S/C18H24N4O4/c19-22(9-5-2-6-10-22)17(24)13(11-12-7-3-1-4-8-12)20-16(23)14-15(21-14)18(25)26/h1,3-4,7-8,13-15,21H,2,5-6,9-11,19H2,(H-,20,23,25,26)/p+1